The Molecular Modelling Group studies molecular interactions using modelling techniques such as homology modelling, molecular dynamics, docking and free energy simulations. Our main activity consists in developing and applying methods for computer-aided protein engineering and drug design. Notably, we develop novel inhibitors of important targets for cancer therapy and design optimized proteins, such as T-cell receptors, for cancer immunotherapy. We develop and maintain web tools for drug design, such as SwissDock, SwissTargetPrediction and SwissADME. We also run the Protein Modelling Facility of the University of Lausanne.
The group develops the SIB Resource SwissDrugDesign, a suite of web-based computer-aided drug design software tools